4-[[2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoylamino]methyl]benzoate

Systemtic Name: 4-[[2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoylamino]methyl]benzoate Openeye Name: 4-[[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]methyl]benzoate CAS Name: 4-[[[1-oxo-2-[(1-phenyl-5-tetrazolyl)thio]ethyl]amino]methyl]benzoate IUPAC Name: 4-[[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[(1-phenyltetrazol-5-yl)thio]acetyl]amino]methyl]benzoate Formula: C17H14N5O3S- MolecularWeight: 368.38976

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)NCC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)NCC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C17H15N5O3S/c23-15(18-10-12-6-8-13(9-7-12)16(24)25)11-26-17-19-20-21-22(17)14-4-2-1-3-5-14/h1-9H,10-11H2,(H,18,23)(H,24,25)/p-1